2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

C16H11F2N3O3 — CID 59402902

IUPAC2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2noc(-c3ccccc3)n2)c1F
InChIInChI=1S/C16H11F2N3O3/c17-10-6-7-11(14(18)13(10)15(19)22)23-8-12-20-16(24-21-12)9-4-2-1-3-5-9/h1-7H,8H2,(H2,19,22)
InChIKeyXSAKTBWSPMPEGF-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.69
Rot. Bonds5

About 2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 59402902) has the molecular formula C16H11F2N3O3 and a molecular weight of 331.28 g/mol. Its IUPAC name is 2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID59402902
Molecular FormulaC16H11F2N3O3
Molecular Weight331.28 g/mol
Exact Mass331.08
IUPAC Name2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2noc(-c3ccccc3)n2)c1F
InChIInChI=1S/C16H11F2N3O3/c17-10-6-7-11(14(18)13(10)15(19)22)23-8-12-20-16(24-21-12)9-4-2-1-3-5-9/h1-7H,8H2,(H2,19,22)
InChIKeyXSAKTBWSPMPEGF-UHFFFAOYSA-N
XLogP2.69
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 63336257
1-[3-methoxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
CID 86992137
2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 66620086
3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide
CID 59402891
3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide
CID 59549533
2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide
CID 59402859
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790985
2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 71279247
3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 59402783
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 38859277
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790986
2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide
CID 59403007

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 59402902) is 2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is NC(=O)c1c(F)ccc(OCc2noc(-c3ccccc3)n2)c1F.
What is the InChIKey of 2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is XSAKTBWSPMPEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O3/c17-10-6-7-11(14(18)13(10)15(19)22)23-8-12-20-16(24-21-12)9-4-2-1-3-5-9/h1-7H,8H2,(H2,19,22).
What are the key properties of 2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 331.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 59402902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).